UCSF

ZINC12339607

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2008 10 Yes

CAS Numbers: 120-29-6 , 135-97-7

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.48 1.92 -31.26 2 2 1 25 142.222 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 232-234? Alfa-Aesar
Boiling_Point 232-234° Alfa-Aesar
Melting_Point 61-65? (dried) Alfa-Aesar
Melting_Point 61-65° (dried) Alfa-Aesar

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )